| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:02:11 UTC |
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| Update Date | 2025-03-21 18:07:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00067369 |
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| Frequency | 45.1 |
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| Structure | |
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| Chemical Formula | C10H12N2O7S |
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| Molecular Mass | 304.0365 |
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| SMILES | NC(CC(=O)Nc1ccccc1OS(=O)(=O)O)C(=O)O |
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| InChI Key | DSWMAXDQOFYGSS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | asparagine and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha amino acidsanilidescarbonyl compoundscarboxylic acidsfatty amideshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesn-arylamidesorganic oxidesorganopnictogen compoundsphenoxy compoundsphenylsulfatessecondary carboxylic acid amidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl groupcarboxylic acidfatty amiden-arylamidephenylsulfateorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundarylsulfateasparagine or derivativesorganic sulfuric acid or derivativescarboxamide grouparomatic homomonocyclic compoundanilidesecondary carboxylic acid amidemonocarboxylic acid or derivativesorganic oxygen compoundsulfate-esterhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compoundsulfuric acid esterorganooxygen compound |
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